2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide

C20H20N4O3 — CID 20893452

IUPAC2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cc3occc3n12
InChIInChI=1S/C20H20N4O3/c1-13(15-6-4-3-5-7-15)11-21-19(25)12-23-20(26)17-10-18-16(8-9-27-18)24(17)14(2)22-23/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKeyWEVALMHGEXKLAO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.47
Rot. Bonds5

About 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide

2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide (PubChem CID 20893452) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide
PubChem CID20893452
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cc3occc3n12
InChIInChI=1S/C20H20N4O3/c1-13(15-6-4-3-5-7-15)11-21-19(25)12-23-20(26)17-10-18-16(8-9-27-18)24(17)14(2)22-23/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKeyWEVALMHGEXKLAO-UHFFFAOYSA-N
XLogP2.47
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide with MolForge

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Related Compounds

2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide
CID 20953634
N-[2-(2-methoxyphenyl)ethyl]-2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 95806883
N-(2-methylcyclohexyl)-2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20893453
2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-propan-2-ylacetamide
CID 16674686
N-(furan-2-ylmethyl)-4-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)butanamide
CID 20893626
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide
CID 18202883
2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-propan-2-ylbutanamide
CID 20893742
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93053068
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
2-(4,12-dimethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 16669894

Frequently Asked Questions

What is the IUPAC name of 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide (CID 20893452) is 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide is Cc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cc3occc3n12.
What is the InChIKey of 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide?
The InChIKey is WEVALMHGEXKLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(15-6-4-3-5-7-15)11-21-19(25)12-23-20(26)17-10-18-16(8-9-27-18)24(17)14(2)22-23/h3-10,13H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide?
2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 20893452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).